2-[4-[6-fluoranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]butanoyl-hexyl-amino]ethyl ethanoate

Systemtic Name: 2-[4-[6-fluoranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]butanoyl-hexyl-amino]ethyl ethanoate Openeye Name: 2-[4-[6-fluoro-2-(1-hydroxyethyl)-3-nitro-phenoxy]butanoyl-hexyl-amino]ethyl acetate CAS Name: acetic acid 2-[[4-[6-fluoro-2-(1-hydroxyethyl)-3-nitrophenoxy]-1-oxobutyl]-hexylamino]ethyl ester IUPAC Name: 2-[4-[6-fluoro-2-(1-hydroxyethyl)-3-nitrophenoxy]butanoyl-hexylamino]ethyl acetate Traditional Name: acetic acid 2-[4-[6-fluoro-2-(1-hydroxyethyl)-3-nitro-phenoxy]butanoyl-hexyl-amino]ethyl ester Formula: C22H33FN2O7 MolecularWeight: 456.505023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCOC(=O)C)C(=O)CCCOC1=C(C=CC(=C1C(C)O)[N+](=O)[O-])F

Isomeric SMILES

CCCCCCN(CCOC(=O)C)C(=O)CCCOC1=C(C=CC(=C1C(C)O)[N+](=O)[O-])F

InChI

InChI=1S/C22H33FN2O7/c1-4-5-6-7-12-24(13-15-31-17(3)27)20(28)9-8-14-32-22-18(23)10-11-19(25(29)30)21(22)16(2)26/h10-11,16,26H,4-9,12-15H2,1-3H3